2-bromo-4-chloro-N-(4-formylphenyl)benzamide

C14H9BrClNO2 — CID 107987879

IUPAC2-bromo-4-chloro-N-(4-formylphenyl)benzamide
SMILESO=Cc1ccc(NC(=O)c2ccc(Cl)cc2Br)cc1
InChIInChI=1S/C14H9BrClNO2/c15-13-7-10(16)3-6-12(13)14(19)17-11-4-1-9(8-18)2-5-11/h1-8H,(H,17,19)
InChIKeyYLDMVQRXLOGLTR-UHFFFAOYSA-N
MW338.59 g/mol
LogP4.17
Rot. Bonds3

About 2-bromo-4-chloro-N-(4-formylphenyl)benzamide

2-bromo-4-chloro-N-(4-formylphenyl)benzamide (PubChem CID 107987879) has the molecular formula C14H9BrClNO2 and a molecular weight of 338.59 g/mol. Its IUPAC name is 2-bromo-4-chloro-N-(4-formylphenyl)benzamide.

Molecular Properties

Compound Name2-bromo-4-chloro-N-(4-formylphenyl)benzamide
PubChem CID107987879
Molecular FormulaC14H9BrClNO2
Molecular Weight338.59 g/mol
Exact Mass336.95
IUPAC Name2-bromo-4-chloro-N-(4-formylphenyl)benzamide
SMILESO=Cc1ccc(NC(=O)c2ccc(Cl)cc2Br)cc1
InChIInChI=1S/C14H9BrClNO2/c15-13-7-10(16)3-6-12(13)14(19)17-11-4-1-9(8-18)2-5-11/h1-8H,(H,17,19)
InChIKeyYLDMVQRXLOGLTR-UHFFFAOYSA-N
XLogP4.17
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.59
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

2-bromo-4-fluoro-N-(4-formylphenyl)benzamide
CID 106912100
2-bromo-4-chloro-N-(4-methylphenyl)benzamide
CID 103763138
5-chloro-N-(4-formylphenyl)-2-hydroxybenzamide
CID 106912269
N-(4-acetylphenyl)-2-bromo-4-chlorobenzamide
CID 103763178
2-bromo-N-(4-carbamoylphenyl)-4-chlorobenzamide
CID 103763181
2-bromo-4-chloro-N-[4-(chloromethyl)phenyl]benzamide
CID 107993837
5-[(2-bromo-4-chlorobenzoyl)amino]-2-chlorobenzamide
CID 103763706
N-(6-amino-3-pyridinyl)-2-bromo-4-chlorobenzamide
CID 103806405
2-bromo-4-chloro-N-(4-chloro-3-cyanophenyl)benzamide
CID 103763591
2-bromo-4-chloro-N-(3-chloro-4-methoxyphenyl)benzamide
CID 103763233
2-bromo-4-chloro-N-(1H-indol-5-yl)benzamide
CID 103763682
2-bromo-4-chloro-N-(4-chloro-3-nitrophenyl)benzamide
CID 103763477

Frequently Asked Questions

What is the IUPAC name of 2-bromo-4-chloro-N-(4-formylphenyl)benzamide?
The IUPAC name of 2-bromo-4-chloro-N-(4-formylphenyl)benzamide (CID 107987879) is 2-bromo-4-chloro-N-(4-formylphenyl)benzamide.
What is the SMILES notation for 2-bromo-4-chloro-N-(4-formylphenyl)benzamide?
The canonical SMILES for 2-bromo-4-chloro-N-(4-formylphenyl)benzamide is O=Cc1ccc(NC(=O)c2ccc(Cl)cc2Br)cc1.
What is the InChIKey of 2-bromo-4-chloro-N-(4-formylphenyl)benzamide?
The InChIKey is YLDMVQRXLOGLTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9BrClNO2/c15-13-7-10(16)3-6-12(13)14(19)17-11-4-1-9(8-18)2-5-11/h1-8H,(H,17,19).
What are the key properties of 2-bromo-4-chloro-N-(4-formylphenyl)benzamide?
2-bromo-4-chloro-N-(4-formylphenyl)benzamide has a molecular weight of 338.59 g/mol, XLogP of 4.17, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-4-chloro-N-(4-formylphenyl)benzamide is sourced from PubChem (CID 107987879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).